COMPND HMDB0061689 HETATM 1 C1 UNL 1 -5.684 3.349 -0.117 1.00 0.00 C HETATM 2 C2 UNL 1 -6.597 2.149 -0.169 1.00 0.00 C HETATM 3 C3 UNL 1 -6.082 0.932 -0.200 1.00 0.00 C HETATM 4 C4 UNL 1 -4.621 0.876 -0.182 1.00 0.00 C HETATM 5 C5 UNL 1 -3.983 -0.257 -0.218 1.00 0.00 C HETATM 6 C6 UNL 1 -2.532 -0.286 -0.196 1.00 0.00 C HETATM 7 C7 UNL 1 -1.637 0.860 -0.160 1.00 0.00 C HETATM 8 C8 UNL 1 -2.035 -1.517 -0.238 1.00 0.00 C HETATM 9 C9 UNL 1 -0.707 -1.802 -0.219 1.00 0.00 C HETATM 10 C10 UNL 1 0.470 -2.056 -0.202 1.00 0.00 C HETATM 11 C11 UNL 1 1.803 -1.616 -0.154 1.00 0.00 C HETATM 12 C12 UNL 1 2.060 -0.133 -0.030 1.00 0.00 C HETATM 13 C13 UNL 1 2.865 -2.392 -0.180 1.00 0.00 C HETATM 14 C14 UNL 1 4.224 -1.960 -0.137 1.00 0.00 C HETATM 15 O1 UNL 1 5.122 -2.902 -0.156 1.00 0.00 O HETATM 16 O2 UNL 1 4.765 -0.711 -0.079 1.00 0.00 O HETATM 17 C15 UNL 1 6.156 -0.449 -0.049 1.00 0.00 C HETATM 18 O3 UNL 1 6.422 0.133 1.211 1.00 0.00 O HETATM 19 C16 UNL 1 7.784 -0.076 1.431 1.00 0.00 C HETATM 20 C17 UNL 1 8.113 0.356 2.794 1.00 0.00 C HETATM 21 O4 UNL 1 7.234 0.824 3.557 1.00 0.00 O HETATM 22 O5 UNL 1 9.407 0.257 3.279 1.00 0.00 O HETATM 23 C18 UNL 1 8.672 0.586 0.425 1.00 0.00 C HETATM 24 O6 UNL 1 9.878 -0.153 0.433 1.00 0.00 O HETATM 25 C19 UNL 1 8.137 0.651 -0.963 1.00 0.00 C HETATM 26 O7 UNL 1 8.744 -0.379 -1.709 1.00 0.00 O HETATM 27 C20 UNL 1 6.633 0.524 -1.069 1.00 0.00 C HETATM 28 O8 UNL 1 6.113 1.801 -0.837 1.00 0.00 O HETATM 29 C21 UNL 1 -6.937 -0.263 -0.220 1.00 0.00 C HETATM 30 C22 UNL 1 -6.729 -1.149 -1.443 1.00 0.00 C HETATM 31 C23 UNL 1 -6.726 -1.084 1.070 1.00 0.00 C HETATM 32 C24 UNL 1 -8.411 0.064 -0.211 1.00 0.00 C HETATM 33 C25 UNL 1 -8.798 1.316 -0.914 1.00 0.00 C HETATM 34 C26 UNL 1 -8.031 2.399 -0.190 1.00 0.00 C HETATM 35 O9 UNL 1 -8.549 3.391 0.332 1.00 0.00 O HETATM 36 H1 UNL 1 -6.245 4.282 -0.137 1.00 0.00 H HETATM 37 H2 UNL 1 -5.040 3.293 -1.036 1.00 0.00 H HETATM 38 H3 UNL 1 -5.069 3.323 0.798 1.00 0.00 H HETATM 39 H4 UNL 1 -4.018 1.770 -0.135 1.00 0.00 H HETATM 40 H5 UNL 1 -4.619 -1.141 -0.266 1.00 0.00 H HETATM 41 H6 UNL 1 -0.785 0.735 -0.903 1.00 0.00 H HETATM 42 H7 UNL 1 -1.148 0.977 0.835 1.00 0.00 H HETATM 43 H8 UNL 1 -2.094 1.845 -0.396 1.00 0.00 H HETATM 44 H9 UNL 1 -2.780 -2.363 -0.261 1.00 0.00 H HETATM 45 H10 UNL 1 -0.854 -2.899 -1.131 1.00 0.00 H HETATM 46 H11 UNL 1 0.465 -3.234 0.140 1.00 0.00 H HETATM 47 H12 UNL 1 1.125 0.359 0.382 1.00 0.00 H HETATM 48 H13 UNL 1 2.196 0.251 -1.047 1.00 0.00 H HETATM 49 H14 UNL 1 2.842 0.059 0.697 1.00 0.00 H HETATM 50 H15 UNL 1 2.661 -3.487 -0.245 1.00 0.00 H HETATM 51 H16 UNL 1 6.763 -1.357 -0.086 1.00 0.00 H HETATM 52 H17 UNL 1 7.941 -1.190 1.331 1.00 0.00 H HETATM 53 H18 UNL 1 9.999 -0.524 3.029 1.00 0.00 H HETATM 54 H19 UNL 1 8.948 1.598 0.823 1.00 0.00 H HETATM 55 H20 UNL 1 10.302 -0.137 -0.469 1.00 0.00 H HETATM 56 H21 UNL 1 8.486 1.633 -1.394 1.00 0.00 H HETATM 57 H22 UNL 1 8.527 -1.250 -1.325 1.00 0.00 H HETATM 58 H23 UNL 1 6.418 0.176 -2.117 1.00 0.00 H HETATM 59 H24 UNL 1 5.914 1.922 0.134 1.00 0.00 H HETATM 60 H25 UNL 1 -5.997 -0.736 -2.161 1.00 0.00 H HETATM 61 H26 UNL 1 -6.529 -2.212 -1.153 1.00 0.00 H HETATM 62 H27 UNL 1 -7.677 -1.243 -2.057 1.00 0.00 H HETATM 63 H28 UNL 1 -5.871 -0.711 1.665 1.00 0.00 H HETATM 64 H29 UNL 1 -7.675 -1.057 1.628 1.00 0.00 H HETATM 65 H30 UNL 1 -6.519 -2.146 0.831 1.00 0.00 H HETATM 66 H31 UNL 1 -8.986 -0.774 -0.700 1.00 0.00 H HETATM 67 H32 UNL 1 -8.772 0.180 0.855 1.00 0.00 H HETATM 68 H33 UNL 1 -9.896 1.448 -0.733 1.00 0.00 H HETATM 69 H34 UNL 1 -8.558 1.329 -1.985 1.00 0.00 H CONECT 1 2 36 37 38 CONECT 2 3 3 34 CONECT 3 4 29 CONECT 4 5 5 39 CONECT 5 6 40 CONECT 6 7 8 8 CONECT 7 41 42 43 CONECT 8 9 44 CONECT 9 10 10 45 CONECT 10 11 46 CONECT 11 12 13 13 CONECT 12 47 48 49 CONECT 13 14 50 CONECT 14 15 15 16 CONECT 16 17 CONECT 17 18 27 51 CONECT 18 19 CONECT 19 20 23 52 CONECT 20 21 21 22 CONECT 22 53 CONECT 23 24 25 54 CONECT 24 55 CONECT 25 26 27 56 CONECT 26 57 CONECT 27 28 58 CONECT 28 59 CONECT 29 30 31 32 CONECT 30 60 61 62 CONECT 31 63 64 65 CONECT 32 33 66 67 CONECT 33 34 68 69 CONECT 34 35 35 END